1-[1,3-benzodioxol-5-yl(pyridin-4-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[1,3-benzodioxol-5-yl(pyridin-4-yl)methyl]-1,4-diazepane Openeye Name: 1-[1,3-benzodioxol-5-yl(4-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[1,3-benzodioxol-5-yl(pyridin-4-yl)methyl]-1,4-diazepane IUPAC Name: 1-[1,3-benzodioxol-5-yl(pyridin-4-yl)methyl]-1,4-diazepane Traditional Name: 1-[1,3-benzodioxol-5-yl(4-pyridyl)methyl]-1,4-diazepane Formula: C18H21N3O2 MolecularWeight: 311.37824

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC=NC=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CNCCN(C1)C(C2=CC=NC=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H21N3O2/c1-6-19-9-11-21(10-1)18(14-4-7-20-8-5-14)15-2-3-16-17(12-15)23-13-22-16/h2-5,7-8,12,18-19H,1,6,9-11,13H2